Geometry & MOs

Info

ID:	292874
PubChem CID:	117362231
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	3.74
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC2=C1C=CC(=C2)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations